REMARK Name = BDB035443 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.097 0.426 -1.065 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.073 0.290 -1.821 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.241 0.068 -3.006 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.202 0.470 -0.899 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.557 0.424 -1.171 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.450 0.635 -0.110 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.944 0.869 1.191 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.560 0.913 1.452 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.701 0.708 0.375 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.207 0.689 0.336 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.877 0.386 -1.082 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.523 0.480 -0.672 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.431 0.331 -1.547 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.716 0.085 -2.891 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.033 -0.011 -3.340 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.094 0.136 -2.447 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.063 0.546 -0.015 0.00 0.00 +0.057 C ATOM 18 C LIG 1 -5.156 1.966 0.682 0.00 0.00 +0.027 C ATOM 19 C LIG 1 -6.658 1.863 0.568 0.00 0.00 -0.014 C ATOM 20 C LIG 1 -7.458 1.516 1.817 0.00 0.00 +0.081 C ATOM 21 C LIG 1 -8.407 2.672 1.404 0.00 0.00 +0.134 C ATOM 22 O LIG 1 -9.485 3.064 1.797 0.00 0.00 -0.297 OA ATOM 23 C LIG 1 -7.454 3.118 0.265 0.00 0.00 +0.081 C ATOM 24 C LIG 1 -6.538 0.809 -0.512 0.00 0.00 +0.027 C BRANCH 17 27 ATOM 25 C LIG 1 -5.250 -2.648 -0.484 0.00 0.00 +0.151 C ATOM 26 N LIG 1 -5.089 -1.990 0.783 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -5.002 -0.647 1.034 0.00 0.00 +0.144 A ATOM 28 N LIG 1 -4.835 -0.468 2.328 0.00 0.00 -0.134 NA ATOM 29 N LIG 1 -4.824 -1.702 2.931 0.00 0.00 -0.138 NA ATOM 30 C LIG 1 -4.974 -2.605 1.991 0.00 0.00 +0.224 A ENDBRANCH 17 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.023 1.158 2.836 0.00 0.00 +0.418 C ATOM 32 F LIG 1 1.328 0.090 3.313 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.162 2.212 2.875 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.987 1.425 3.758 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 5.943 0.571 -0.354 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.387 -0.822 -0.403 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.004 -1.315 0.403 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 7.849 -0.937 -0.541 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.540 -0.625 0.817 0.00 0.00 +0.022 C ATOM 40 C LIG 1 9.349 -1.926 0.634 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.217 -2.431 -0.286 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.422 -0.344 -1.815 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 7